SCHEMBL14511627

SCHEMBL14511627

CCOC(=O)c1nc(C)[nH]c1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 4/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21771639 0.83 KDM4E (0.42) KDM4EALDH1A1CYP1A2HPGDHTT
SCHEMBL13175050 0.76 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2HPGDPOLB
SCHEMBL11482936 0.76 CYP1A2 (0.47) KDM4EALDH1A1CYP1A2HPGDHTT
SCHEMBL7885220 0.75 ALDH1A1 (0.51) KDM4EALDH1A1CYP1A2HPGDHTT
SCHEMBL13296823 0.75 ERCC1 (0.48) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL13175024 0.75 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL13296857 0.75 CDC7 (0.46) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL13437298 0.75 LMNA (0.46) KDM4EALDH1A1HPGDHTTPOLB
SCHEMBL17224898 0.74 HCAR2 (0.47) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL18256063 0.74 SMN1; SMN2 (0.55) KDM4EALDH1A1HPGDPOLBRXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 KDM4E 1274/4885ALDH1A1 1875/4885CYP1A2 1378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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